#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hom n PHE 1 N 0.00 2.42 -2.91 -1.40 7.35 -1.26 -5.01 117.46 116.64 3hom n PHE 1 Ca 0.00 -2.25 -0.42 0.00 -0.76 0.00 0.00 57.45 54.02 3hom n PHE 1 Cb 0.00 -0.30 -0.04 0.00 0.35 0.00 0.00 39.48 39.48 3hom n PHE 1 CO 0.00 0.00 0.00 -0.80 -0.76 0.00 0.00 176.76 175.20 3hom s ASN 2 N -3.64 6.79 0.11 -2.13 0.01 -1.26 -5.04 114.94 109.78 3hom s ASN 2 Ca 0.45 0.97 0.03 0.00 -0.71 0.00 0.00 52.86 53.60 3hom s ASN 2 Cb 0.39 -2.42 -0.04 0.00 0.41 0.00 0.00 41.25 39.59 3hom s ASN 2 CO 0.01 -0.51 0.15 -0.76 -1.51 0.00 0.00 177.10 174.47 3hom s LEU 3 N 2.83 3.97 0.46 0.60 1.43 -1.26 -1.09 118.68 125.62 3hom s LEU 3 Ca 0.34 0.03 -0.15 0.00 -1.03 0.00 0.00 54.13 53.32 3hom s LEU 3 Cb -0.15 -2.61 -0.08 0.00 0.03 0.00 0.00 46.19 43.39 3hom s LEU 3 CO 0.08 0.13 0.89 -2.84 0.23 0.00 0.00 176.35 174.84 3hom s PRO 4 N -2.72 3.91 0.00 1.29 0.02 -1.26 -4.63 135.00 131.60 3hom s PRO 4 Ca 0.31 0.78 0.00 0.00 0.02 0.00 0.00 61.00 62.11 3hom s PRO 4 Cb -0.12 -2.25 0.00 0.00 0.02 0.00 0.00 34.50 32.16 3hom s PRO 4 CO 0.24 -0.15 0.00 -0.35 -0.33 0.00 0.00 177.00 176.41 3hom n PRO 5 N -1.36 3.24 -0.95 5.54 -0.04 -1.26 -4.95 135.00 135.23 3hom n PRO 5 Ca 0.05 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.64 3hom n PRO 5 Cb 0.54 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.97 3hom n PRO 5 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3hom n GLY 6 N 3.82 -1.72 0.00 0.55 0.00 -1.26 -5.03 105.19 101.55 3hom n GLY 6 Ca 0.00 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.86 3hom n GLY 6 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3hom n ASN 7 N -3.51 0.00 -0.33 1.61 0.23 -1.26 -5.06 115.26 106.94 3hom n ASN 7 Ca 0.01 -0.85 0.05 0.00 -0.53 0.00 0.00 54.58 53.26 3hom n ASN 7 Cb 0.43 0.00 0.11 0.00 -2.08 0.00 0.00 39.78 38.25 3hom n ASN 7 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 3hom n TYR 8 N 0.00 0.28 -0.20 -2.53 4.01 -1.26 -4.71 117.16 112.75 3hom n TYR 8 Ca 0.00 -0.67 -0.03 0.00 -0.16 0.00 0.00 57.90 57.04 3hom n TYR 8 Cb 0.00 -0.11 0.08 0.00 -0.31 0.00 0.00 39.34 39.00 3hom n TYR 8 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 3hom h LYS 9 N 0.84 0.57 -6.59 -0.72 1.57 -1.97 -3.44 116.57 106.83 3hom h LYS 9 Ca 0.00 -0.03 -0.65 0.00 -1.87 0.00 0.00 60.65 58.09 3hom h LYS 9 Cb 0.83 -0.13 -0.18 0.00 0.08 0.00 0.00 32.23 32.83 3hom h LYS 9 CO 0.04 0.38 -0.80 0.15 -0.57 0.00 0.00 179.45 178.64 3hom s LYS 10 N -6.11 1.65 0.75 3.15 1.02 -1.26 -5.12 119.74 113.82 3hom s LYS 10 Ca -0.13 -1.45 -0.13 0.00 0.02 0.00 0.00 55.97 54.28 3hom s LYS 10 Cb 0.15 -1.93 0.05 0.00 -0.52 0.00 0.00 37.83 35.58 3hom s LYS 10 CO 0.75 0.41 1.15 -1.25 -0.92 0.00 0.00 175.35 175.49 3hom s PRO 11 N -2.66 2.13 0.27 -1.68 0.04 -1.26 -4.80 135.00 127.04 3hom s PRO 11 Ca 0.21 1.52 0.02 0.00 0.04 0.00 0.00 61.00 62.79 3hom s PRO 11 Cb -0.08 -1.86 -0.04 0.00 0.04 0.00 0.00 34.50 32.56 3hom s PRO 11 CO 0.11 -1.79 0.17 0.15 0.04 0.00 0.00 177.00 175.67 3hom s LYS 12 N -4.27 1.47 0.02 4.56 -0.14 0.14 -4.21 119.74 117.31 3hom s LYS 12 Ca 0.69 -1.82 0.04 0.00 -1.36 0.00 0.00 55.97 53.52 3hom s LYS 12 Cb -0.23 0.10 -0.03 0.00 -1.68 0.00 0.00 37.83 35.99 3hom s LYS 12 CO 0.48 -0.45 -0.09 -0.51 -0.76 0.00 0.00 175.35 174.02 3hom s LEU 13 N -3.29 3.06 -0.48 3.17 1.43 0.13 -1.03 118.68 121.67 3hom s LEU 13 Ca 0.38 -0.22 -0.05 0.00 -1.03 0.00 0.00 54.13 53.22 3hom s LEU 13 Cb 0.05 -1.77 0.13 0.00 0.03 0.00 0.00 46.19 44.63 3hom s LEU 13 CO 0.17 0.27 0.31 -0.76 0.23 0.00 0.00 176.35 176.57 3hom s LEU 14 N -1.50 5.40 -0.12 1.79 1.43 -1.26 0.38 118.68 124.80 3hom s LEU 14 Ca 0.17 -2.21 -0.26 0.00 -1.03 0.00 0.00 54.13 50.80 3hom s LEU 14 Cb -0.11 -1.89 -0.02 0.00 0.03 0.00 0.00 46.19 44.20 3hom s LEU 14 CO 0.08 -0.54 0.85 -0.47 0.23 0.00 0.00 176.35 176.50 3hom s TYR 15 N 0.90 3.49 -0.31 0.29 5.04 -0.34 -1.66 117.35 124.76 3hom s TYR 15 Ca 0.10 1.36 -0.11 0.00 -2.44 0.00 0.00 57.07 55.98 3hom s TYR 15 Cb -0.23 -3.01 -0.03 0.00 0.35 0.00 0.00 41.96 39.04 3hom s TYR 15 CO -0.03 -0.15 0.19 0.00 -1.34 0.00 0.00 175.55 174.22 3hom h SER 17 N 8.40 0.00 -0.02 0.00 4.64 -1.77 -0.08 113.55 124.73 3hom h SER 17 Ca -0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 3hom h SER 17 Cb 1.17 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.25 3hom h SER 17 CO 0.60 0.00 -0.05 -1.13 -0.87 0.00 0.00 176.83 175.37 3hom h ASN 18 N 0.00 -0.17 -0.07 4.97 -1.24 -1.82 -3.31 115.58 113.94 3hom h ASN 18 Ca 0.00 0.02 0.00 0.00 0.71 0.00 0.00 56.30 57.03 3hom h ASN 18 Cb 0.02 0.07 0.00 0.00 0.73 0.00 0.00 38.32 39.14 3hom h ASN 18 CO -0.00 -0.05 0.00 0.61 -1.29 0.00 0.00 177.43 176.70 3hom n GLY 19 N -1.04 0.45 1.70 1.57 0.00 -1.23 -4.80 105.19 101.83 3hom n GLY 19 Ca -0.01 -0.17 -0.04 0.00 0.00 0.00 0.00 46.02 45.80 3hom n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hom n GLY 20 N 0.21 0.47 3.58 -0.02 0.00 -0.06 -4.99 105.19 104.37 3hom n GLY 20 Ca 0.04 -0.43 -0.27 0.00 0.00 0.00 0.00 46.02 45.36 3hom n GLY 20 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3hom s HIS 21 N -3.07 2.68 -0.19 1.61 3.76 -1.13 -4.56 115.29 114.39 3hom s HIS 21 Ca 0.06 -0.20 -0.10 0.00 -0.15 0.00 0.00 55.06 54.67 3hom s HIS 21 Cb -0.03 -1.33 -0.05 0.00 1.11 0.00 0.00 32.58 32.29 3hom s HIS 21 CO 0.15 0.49 0.14 -0.06 -0.85 0.00 0.00 174.74 174.60 3hom s PHE 22 N -1.59 3.43 0.16 1.40 0.08 -0.07 -0.47 117.98 120.92 3hom s PHE 22 Ca 0.24 0.36 -0.32 0.00 0.12 0.00 0.00 56.93 57.34 3hom s PHE 22 Cb -0.09 -2.14 -0.11 0.00 -0.57 0.00 0.00 43.02 40.10 3hom s PHE 22 CO 0.15 0.34 1.73 -1.17 -0.10 0.00 0.00 175.22 176.17 3hom s LEU 23 N 0.21 4.38 -0.05 -0.37 2.96 -0.66 -2.21 118.68 122.94 3hom s LEU 23 Ca 0.09 2.77 0.04 0.00 -0.22 0.00 0.00 54.13 56.81 3hom s LEU 23 Cb -0.11 -3.59 -0.00 0.00 0.50 0.00 0.00 46.19 42.99 3hom s LEU 23 CO -0.01 -0.95 -0.17 -0.60 -1.32 0.00 0.00 176.35 173.29 3hom s ARG 24 N 1.78 1.88 -0.31 1.98 3.52 0.94 -4.49 118.95 124.24 3hom s ARG 24 Ca 0.76 -0.61 0.02 0.00 -0.13 0.00 0.00 55.73 55.77 3hom s ARG 24 Cb -0.47 -1.60 0.08 0.00 -1.56 0.00 0.00 34.95 31.40 3hom s ARG 24 CO 0.33 0.21 -0.00 0.42 -0.81 0.00 0.00 175.30 175.45 3hom s ILE 25 N 0.15 2.46 0.55 4.11 1.01 -0.86 -1.02 121.20 127.60 3hom s ILE 25 Ca -0.07 -1.91 -0.18 0.00 0.00 0.00 0.00 60.65 58.50 3hom s ILE 25 Cb -0.13 -2.60 -0.05 0.00 0.01 0.00 0.00 42.46 39.69 3hom s ILE 25 CO 0.03 -0.32 1.06 -0.76 0.00 0.00 0.00 174.94 174.94 3hom s LEU 26 N 1.05 3.63 0.35 2.97 1.43 0.98 -4.82 118.68 124.28 3hom s LEU 26 Ca 0.01 1.89 0.13 0.00 -1.03 0.00 0.00 54.13 55.13 3hom s LEU 26 Cb -0.20 -4.55 0.97 0.00 0.03 0.00 0.00 46.19 42.44 3hom s LEU 26 CO -0.05 -1.05 1.76 -0.65 0.23 0.00 0.00 176.35 176.58 3hom h PRO 27 N 0.87 0.50 0.00 1.29 0.11 -1.98 0.99 132.00 133.78 3hom h PRO 27 Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3hom h PRO 27 Cb 1.22 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3hom h PRO 27 CO 0.58 0.33 0.00 -0.40 -0.21 0.00 0.00 178.00 178.30 3hom n ASP 28 N -4.75 0.00 0.00 -2.05 5.75 -1.26 -4.84 116.55 109.40 3hom n ASP 28 Ca 0.26 -0.89 0.00 0.00 -0.01 0.00 0.00 54.79 54.15 3hom n ASP 28 Cb 0.78 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.87 3hom n ASP 28 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hom n GLY 29 N 0.53 0.84 3.73 6.12 0.00 0.34 -4.95 105.19 111.80 3hom n GLY 29 Ca 0.16 -0.11 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 3hom n GLY 29 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hom s THR 30 N -2.00 5.10 -0.13 2.61 2.01 -1.21 -1.89 115.64 120.13 3hom s THR 30 Ca 0.00 1.14 -0.03 0.00 0.31 0.00 0.00 61.69 63.12 3hom s THR 30 Cb 0.00 -3.90 -0.03 0.00 0.01 0.00 0.00 72.50 68.58 3hom s THR 30 CO 0.00 0.32 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.53 3hom s VAL 31 N 0.51 3.94 0.00 3.82 1.01 -1.26 -0.02 120.40 128.40 3hom s VAL 31 Ca 0.30 -0.36 0.00 0.00 0.00 0.00 0.00 61.98 61.92 3hom s VAL 31 Cb -0.16 -2.69 0.00 0.00 0.00 0.00 0.00 36.38 33.52 3hom s VAL 31 CO 0.14 0.53 0.00 -0.90 0.00 0.00 0.00 175.10 174.87 3hom n ASP 32 N 3.09 0.00 -4.19 3.32 5.75 -0.19 -4.54 116.55 119.80 3hom n ASP 32 Ca -0.18 -0.14 -0.17 0.00 -0.01 0.00 0.00 54.79 54.29 3hom n ASP 32 Cb 0.53 0.00 -0.11 0.00 -1.03 0.00 0.00 41.12 40.50 3hom n ASP 32 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 3hom s GLY 33 N -0.28 0.91 -0.07 6.12 0.00 -0.21 -0.04 107.32 113.75 3hom s GLY 33 Ca 0.00 -1.11 -0.13 0.00 0.00 0.00 0.00 44.72 43.48 3hom s GLY 33 CO 0.00 -1.15 0.32 -1.08 0.00 0.00 0.00 173.10 171.18 3hom s THR 34 N -1.73 0.03 -1.16 0.90 -1.32 -0.94 -4.82 115.64 106.61 3hom s THR 34 Ca 0.02 -0.25 0.25 0.00 -1.21 0.00 0.00 61.69 60.50 3hom s THR 34 Cb -0.07 -0.54 0.02 0.00 -1.51 0.00 0.00 72.50 70.40 3hom s THR 34 CO 0.02 -0.14 1.37 0.54 -2.21 0.00 0.00 174.62 174.20 3hom n ARG 35 N 2.07 0.18 -2.25 7.08 1.74 -1.26 -0.90 116.66 123.32 3hom n ARG 35 Ca -0.17 -0.11 -0.41 0.00 -0.77 0.00 0.00 57.85 56.38 3hom n ARG 35 Cb 0.57 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.48 3hom n ARG 35 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3hom s ASP 36 N -2.90 5.87 0.00 0.55 2.15 -1.26 -4.85 116.67 116.23 3hom s ASP 36 Ca 0.13 0.40 0.10 0.00 0.43 0.00 0.00 52.55 53.61 3hom s ASP 36 Cb 0.18 -2.54 0.46 0.00 -0.30 0.00 0.00 42.92 40.72 3hom s ASP 36 CO 0.69 -1.90 1.27 0.54 -0.17 0.00 0.00 175.17 175.60 3hom n ARG 37 N 8.81 0.06 0.04 4.34 1.74 -1.26 -1.99 116.66 128.40 3hom n ARG 37 Ca 0.15 0.27 0.12 0.00 -0.77 0.00 0.00 57.85 57.62 3hom n ARG 37 Cb 0.50 -1.50 0.17 0.00 -1.02 0.00 0.00 32.46 30.61 3hom n ARG 37 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3hom n SER 38 N -1.41 0.62 -4.65 0.55 3.41 -1.26 -4.93 113.62 105.96 3hom n SER 38 Ca 0.03 -0.02 -0.46 0.00 -0.26 0.00 0.00 58.87 58.16 3hom n SER 38 Cb 0.10 0.28 -0.03 0.00 -0.26 0.00 0.00 64.21 64.29 3hom n SER 38 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3hom n ASP 39 N -1.92 2.47 -0.21 4.04 -0.08 -0.84 -4.88 116.55 115.12 3hom n ASP 39 Ca 0.04 1.13 0.15 0.00 -1.51 0.00 0.00 54.79 54.59 3hom n ASP 39 Cb 0.41 -1.37 0.68 0.00 2.34 0.00 0.00 41.12 43.18 3hom n ASP 39 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3hom n GLN 40 N 2.23 1.14 -0.43 -0.67 1.13 -1.26 -3.87 117.38 115.64 3hom n GLN 40 Ca 0.14 -0.43 0.07 0.00 -1.94 0.00 0.00 57.00 54.84 3hom n GLN 40 Cb 0.29 -1.49 0.24 0.00 0.11 0.00 0.00 30.24 29.39 3hom n GLN 40 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 3hom n HIS 41 N -0.55 0.84 0.55 1.08 8.25 -1.26 -4.47 115.22 119.65 3hom n HIS 41 Ca 0.19 -0.97 0.06 0.00 -0.26 0.00 0.00 57.72 56.74 3hom n HIS 41 Cb 0.26 -0.31 -0.05 0.00 1.12 0.00 0.00 29.99 31.00 3hom n HIS 41 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 3hom n ILE 42 N -0.70 0.00 -2.55 1.59 -5.35 -1.25 -2.02 119.36 109.07 3hom n ILE 42 Ca 0.22 -0.27 -0.43 0.00 -0.27 0.00 0.00 62.75 62.00 3hom n ILE 42 Cb 0.88 1.04 -0.02 0.00 -1.74 0.00 0.00 39.64 39.80 3hom n ILE 42 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 3hom s GLN 43 N -1.95 4.25 -0.01 6.28 1.11 -1.26 -4.52 119.66 123.56 3hom s GLN 43 Ca 0.06 1.50 0.08 0.00 0.01 0.00 0.00 55.36 57.00 3hom s GLN 43 Cb 0.09 -3.69 -0.02 0.00 -1.01 0.00 0.00 33.01 28.38 3hom s GLN 43 CO 0.43 -0.65 -0.24 -0.51 0.01 0.00 0.00 175.29 174.33 3hom s LEU 44 N 3.27 2.06 -0.22 2.90 1.43 -0.20 -2.11 118.68 125.81 3hom s LEU 44 Ca 0.49 -0.45 -0.03 0.00 -1.03 0.00 0.00 54.13 53.12 3hom s LEU 44 Cb -0.18 -1.23 0.01 0.00 0.03 0.00 0.00 46.19 44.81 3hom s LEU 44 CO 0.10 0.29 -0.07 -1.58 0.23 0.00 0.00 176.35 175.32 3hom s GLN 45 N -0.64 3.17 0.15 1.70 2.00 0.17 0.29 119.66 126.50 3hom s GLN 45 Ca 0.09 -0.75 0.03 0.00 -2.00 0.00 0.00 55.36 52.73 3hom s GLN 45 Cb -0.09 -2.93 -0.04 0.00 0.80 0.00 0.00 33.01 30.75 3hom s GLN 45 CO -0.01 -0.26 0.25 -0.51 -0.50 0.00 0.00 175.29 174.27 3hom s LEU 46 N 1.41 4.23 0.01 3.68 1.02 -1.25 -1.56 118.68 126.22 3hom s LEU 46 Ca 0.04 0.11 -0.09 0.00 0.02 0.00 0.00 54.13 54.21 3hom s LEU 46 Cb -0.15 -2.81 0.01 0.00 0.02 0.00 0.00 46.19 43.26 3hom s LEU 46 CO -0.05 0.06 0.19 -0.94 0.02 0.00 0.00 176.35 175.62 3hom s SER 47 N -3.21 -0.01 0.02 2.29 1.04 -0.74 -4.78 113.70 108.32 3hom s SER 47 Ca 0.34 -0.20 -0.06 0.00 0.48 0.00 0.00 55.95 56.50 3hom s SER 47 Cb -0.11 0.25 -0.05 0.00 0.10 0.00 0.00 66.02 66.21 3hom s SER 47 CO 0.27 -0.45 0.28 0.00 0.98 0.00 0.00 173.24 174.33 3hom s ALA 48 N -1.75 3.84 -0.21 5.32 0.00 -1.26 -0.46 121.76 127.25 3hom s ALA 48 Ca -0.11 -0.57 -0.16 0.00 0.00 0.00 0.00 51.96 51.12 3hom s ALA 48 Cb -0.05 -2.07 -0.08 0.00 0.00 0.00 0.00 23.12 20.92 3hom s ALA 48 CO 0.00 0.65 -0.34 -1.91 0.00 0.00 0.00 175.76 174.17 3hom n GLU 49 N 1.01 0.53 -4.27 0.00 4.07 -0.33 -4.96 120.64 116.70 3hom n GLU 49 Ca -0.10 0.22 -0.15 0.00 -0.06 0.00 0.00 57.16 57.07 3hom n GLU 49 Cb 0.53 -1.41 -0.10 0.00 -0.06 0.00 0.00 31.44 30.39 3hom n GLU 49 CO 0.00 0.00 0.00 -1.12 -0.06 0.00 0.00 177.13 175.95 3hom s SER 50 N -6.50 1.23 0.02 4.31 0.01 -1.26 -5.00 113.70 106.51 3hom s SER 50 Ca -0.31 -1.24 -0.35 0.00 1.31 0.00 0.00 55.95 55.35 3hom s SER 50 Cb 0.08 0.13 -0.14 0.00 0.21 0.00 0.00 66.02 66.30 3hom s SER 50 CO 0.43 -0.62 1.66 0.52 0.41 0.00 0.00 173.24 175.65 3hom n VAL 51 N -0.32 0.23 0.00 3.43 0.31 -1.26 -0.18 118.33 120.54 3hom n VAL 51 Ca -0.04 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 3hom n VAL 51 Cb 0.64 -1.49 0.00 0.00 -0.91 0.00 0.00 33.84 32.08 3hom n VAL 51 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3hom n GLY 52 N 3.68 1.99 3.76 2.92 0.00 -1.26 -5.02 105.19 111.26 3hom n GLY 52 Ca 0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.87 3hom n GLY 52 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hom s GLU 53 N -0.36 3.85 0.11 1.61 2.02 0.75 -1.01 118.70 125.67 3hom s GLU 53 Ca 0.00 -0.22 0.00 0.00 0.02 0.00 0.00 54.97 54.78 3hom s GLU 53 Cb 0.00 -3.28 -0.04 0.00 0.10 0.00 0.00 34.13 30.91 3hom s GLU 53 CO 0.00 0.48 -0.02 0.14 0.02 0.00 0.00 175.26 175.88 3hom s VAL 54 N -0.17 0.43 -0.14 2.63 -7.23 -0.50 -1.18 120.40 114.24 3hom s VAL 54 Ca 0.10 -1.90 0.02 0.00 -1.81 0.00 0.00 61.98 58.38 3hom s VAL 54 Cb -0.12 -1.80 0.02 0.00 0.56 0.00 0.00 36.38 35.04 3hom s VAL 54 CO 0.01 -0.75 -0.19 -0.31 -0.31 0.00 0.00 175.10 173.55 3hom s TYR 55 N -3.80 2.46 -0.31 2.82 2.02 0.39 -2.22 117.35 118.71 3hom s TYR 55 Ca 0.15 -1.30 -0.10 0.00 -0.37 0.00 0.00 57.07 55.45 3hom s TYR 55 Cb 0.07 -1.72 -0.01 0.00 -0.40 0.00 0.00 41.96 39.90 3hom s TYR 55 CO -0.03 -0.64 0.17 0.42 -1.57 0.00 0.00 175.55 173.90 3hom s ILE 56 N 1.07 4.73 0.01 2.71 1.01 -1.26 -1.79 121.20 127.67 3hom s ILE 56 Ca -0.02 -0.37 0.04 0.00 0.00 0.00 0.00 60.65 60.31 3hom s ILE 56 Cb -0.14 -3.40 -0.01 0.00 0.01 0.00 0.00 42.46 38.91 3hom s ILE 56 CO -0.06 0.06 -0.14 -0.75 0.00 0.00 0.00 174.94 174.06 3hom s LYS 57 N 1.63 1.05 -0.14 2.79 2.20 -0.60 0.09 119.74 126.76 3hom s LYS 57 Ca 0.05 -0.58 -0.29 0.00 -0.36 0.00 0.00 55.97 54.79 3hom s LYS 57 Cb -0.17 -1.03 -0.02 0.00 -1.51 0.00 0.00 37.83 35.10 3hom s LYS 57 CO 0.07 0.28 1.29 0.45 -0.36 0.00 0.00 175.35 177.08 3hom s SER 58 N -0.58 6.93 0.45 1.43 0.15 0.38 0.43 113.70 122.89 3hom s SER 58 Ca 0.04 1.76 0.22 0.00 0.70 0.00 0.00 55.95 58.67 3hom s SER 58 Cb -0.06 -2.54 1.08 0.00 -1.71 0.00 0.00 66.02 62.79 3hom s SER 58 CO 0.00 -0.76 1.93 0.71 1.20 0.00 0.00 173.24 176.32 3hom h THR 59 N 5.44 0.78 0.15 6.45 1.35 -1.76 0.32 112.91 125.64 3hom h THR 59 Ca -0.28 -0.93 -0.01 0.00 -0.55 0.00 0.00 66.41 64.64 3hom h THR 59 Cb 1.12 1.57 0.00 0.00 -1.73 0.00 0.00 68.15 69.11 3hom h THR 59 CO 0.96 0.23 -0.07 -0.08 -0.25 0.00 0.00 175.52 176.30 3hom h GLU 60 N 0.00 -0.19 0.00 4.72 4.57 -1.80 -3.38 114.58 118.50 3hom h GLU 60 Ca -0.00 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 3hom h GLU 60 Cb 0.55 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.18 3hom h GLU 60 CO 0.03 -0.13 -0.59 1.79 -1.18 0.00 0.00 179.01 178.93 3hom h THR 61 N -0.50 0.00 0.00 0.32 1.35 -1.90 -3.48 112.91 108.70 3hom h THR 61 Ca -0.02 -0.92 0.00 0.00 -0.55 0.00 0.00 66.41 64.92 3hom h THR 61 Cb 0.15 1.61 0.00 0.00 -1.73 0.00 0.00 68.15 68.18 3hom h THR 61 CO 0.03 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.91 3hom n GLY 62 N 1.18 0.51 3.79 5.82 0.00 0.11 -5.03 105.19 111.57 3hom n GLY 62 Ca 0.02 -0.24 -0.36 0.00 0.00 0.00 0.00 46.02 45.43 3hom n GLY 62 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hom s GLN 63 N -0.49 4.47 -0.01 1.61 -0.21 -1.24 -4.74 119.66 119.05 3hom s GLN 63 Ca 0.00 1.20 -0.12 0.00 0.02 0.00 0.00 55.36 56.46 3hom s GLN 63 Cb 0.00 -2.74 -0.05 0.00 1.00 0.00 0.00 33.01 31.21 3hom s GLN 63 CO 0.00 0.27 0.36 0.71 -2.12 0.00 0.00 175.29 174.50 3hom s TYR 64 N -1.66 3.68 0.15 0.91 1.51 0.99 -0.47 117.35 122.46 3hom s TYR 64 Ca 0.50 0.87 -0.30 0.00 -1.01 0.00 0.00 57.07 57.14 3hom s TYR 64 Cb -0.17 -2.20 -0.07 0.00 -0.11 0.00 0.00 41.96 39.41 3hom s TYR 64 CO 0.22 0.65 1.06 -1.17 -1.11 0.00 0.00 175.55 175.19 3hom s LEU 65 N -1.20 4.49 0.12 -1.29 2.96 0.11 -1.19 118.68 122.69 3hom s LEU 65 Ca 0.23 1.98 -0.06 0.00 -0.22 0.00 0.00 54.13 56.06 3hom s LEU 65 Cb -0.15 -3.60 -0.02 0.00 0.50 0.00 0.00 46.19 42.92 3hom s LEU 65 CO 0.12 -0.18 0.17 0.00 -1.32 0.00 0.00 176.35 175.14 3hom s MET 67 N -3.96 1.55 1.00 0.00 1.75 -0.85 -0.64 119.30 118.14 3hom s MET 67 Ca 0.15 -0.29 -0.17 0.00 -1.25 0.00 0.00 55.69 54.13 3hom s MET 67 Cb 0.05 -1.51 0.23 0.00 2.84 0.00 0.00 34.83 36.45 3hom s MET 67 CO -0.03 -0.18 1.22 -0.40 -0.65 0.00 0.00 175.02 174.98 3hom n ASP 68 N 4.60 -0.43 0.00 1.11 5.68 0.36 -4.78 116.55 123.09 3hom n ASP 68 Ca -0.16 -1.38 0.04 0.00 -0.50 0.00 0.00 54.79 52.79 3hom n ASP 68 Cb 0.50 -0.97 0.18 0.00 -1.14 0.00 0.00 41.12 39.70 3hom n ASP 68 CO 0.00 0.00 0.00 1.07 -1.33 0.00 0.00 177.20 176.94 3hom n THR 69 N -4.01 1.11 0.77 2.12 5.66 -1.26 -1.29 114.28 117.39 3hom n THR 69 Ca 0.16 0.28 0.09 0.00 -3.05 0.00 0.00 64.05 61.53 3hom n THR 69 Cb 0.56 -1.15 0.06 0.00 -1.55 0.00 0.00 70.33 68.25 3hom n THR 69 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 3hom n ASP 70 N -1.38 2.39 0.00 1.09 8.00 -1.26 -4.96 116.55 120.43 3hom n ASP 70 Ca 0.03 -1.69 0.00 0.00 0.71 0.00 0.00 54.79 53.84 3hom n ASP 70 Cb 0.07 0.09 0.00 0.00 -0.02 0.00 0.00 41.12 41.27 3hom n ASP 70 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hom n GLY 71 N 1.08 0.64 3.79 0.44 0.00 -0.41 -4.53 105.19 106.19 3hom n GLY 71 Ca 0.10 -0.45 -0.37 0.00 0.00 0.00 0.00 46.02 45.30 3hom n GLY 71 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hom s LEU 72 N 0.00 4.33 0.26 0.99 1.43 -1.26 0.55 118.68 124.98 3hom s LEU 72 Ca 0.00 0.61 -0.23 0.00 -1.03 0.00 0.00 54.13 53.49 3hom s LEU 72 Cb 0.00 -2.36 -0.09 0.00 0.03 0.00 0.00 46.19 43.77 3hom s LEU 72 CO 0.00 0.22 0.82 -0.76 0.23 0.00 0.00 176.35 176.86 3hom s LEU 73 N -0.24 4.37 0.16 1.79 1.43 -1.26 -0.49 118.68 124.44 3hom s LEU 73 Ca 0.18 1.61 -0.16 0.00 -1.03 0.00 0.00 54.13 54.73 3hom s LEU 73 Cb -0.14 -3.72 0.03 0.00 0.03 0.00 0.00 46.19 42.39 3hom s LEU 73 CO 0.06 0.01 0.45 -0.72 0.23 0.00 0.00 176.35 176.38 3hom s TYR 74 N -1.52 -0.14 -0.17 0.29 1.13 0.18 -4.48 117.35 112.65 3hom s TYR 74 Ca 0.45 -0.19 -0.07 0.00 -1.41 0.00 0.00 57.07 55.85 3hom s TYR 74 Cb -0.18 0.30 -0.04 0.00 -1.10 0.00 0.00 41.96 40.94 3hom s TYR 74 CO 0.23 -0.79 0.06 0.20 -2.51 0.00 0.00 175.55 172.74 3hom s GLY 75 N -2.84 1.92 0.10 5.49 0.00 -0.79 -0.96 107.32 110.24 3hom s GLY 75 Ca 0.06 -0.74 0.10 0.00 0.00 0.00 0.00 44.72 44.14 3hom s GLY 75 CO -0.08 -0.02 -0.24 -0.45 0.00 0.00 0.00 173.10 172.31 3hom s SER 76 N 0.18 3.43 0.18 1.64 0.15 -0.33 -4.63 113.70 114.32 3hom s SER 76 Ca 0.04 -0.65 0.04 0.00 0.70 0.00 0.00 55.95 56.09 3hom s SER 76 Cb -0.12 -0.33 0.05 0.00 -1.71 0.00 0.00 66.02 63.91 3hom s SER 76 CO 0.00 0.20 1.42 1.56 1.20 0.00 0.00 173.24 177.63 3hom h GLN 77 N 4.12 0.15 -6.75 5.44 1.08 -1.88 0.28 115.11 117.54 3hom h GLN 77 Ca -0.49 -0.16 -0.69 0.00 -1.45 0.00 0.00 58.65 55.86 3hom h GLN 77 Cb 1.16 0.04 -0.25 0.00 -0.05 0.00 0.00 27.48 28.38 3hom h GLN 77 CO 0.42 0.89 -0.87 0.95 -0.95 0.00 0.00 178.83 179.27 3hom s THR 78 N -3.27 2.22 -0.03 -0.54 -4.23 -1.26 -4.76 115.64 103.77 3hom s THR 78 Ca -0.02 -1.43 -0.28 0.00 -1.18 0.00 0.00 61.69 58.77 3hom s THR 78 Cb 0.11 -1.89 -0.03 0.00 1.34 0.00 0.00 72.50 72.03 3hom s THR 78 CO 0.81 0.32 0.92 -2.16 -0.54 0.00 0.00 174.62 173.97 3hom s PRO 79 N -1.39 4.51 0.44 3.99 0.04 -1.26 -4.88 135.00 136.44 3hom s PRO 79 Ca 0.12 1.29 0.04 0.00 0.04 0.00 0.00 61.00 62.49 3hom s PRO 79 Cb -0.10 -3.47 -0.01 0.00 0.04 0.00 0.00 34.50 30.96 3hom s PRO 79 CO 0.03 -0.06 0.13 0.27 0.04 0.00 0.00 177.00 177.41 3hom n ASN 80 N 4.04 1.51 0.03 6.66 0.23 -1.26 -5.01 115.26 121.45 3hom n ASN 80 Ca 0.05 -3.28 0.22 0.00 -0.53 0.00 0.00 54.58 51.04 3hom n ASN 80 Cb 0.51 1.00 0.73 0.00 -2.08 0.00 0.00 39.78 39.93 3hom n ASN 80 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 3hom h GLU 81 N 0.00 0.00 0.00 -3.83 4.11 -1.99 0.68 114.58 113.55 3hom h GLU 81 Ca -0.34 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.09 3hom h GLU 81 Cb 1.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 3hom h GLU 81 CO 0.55 0.00 0.00 0.39 0.07 0.00 0.00 179.01 180.02 3hom n GLU 82 N -3.94 0.03 -0.43 1.06 1.02 -1.26 -3.56 120.64 113.57 3hom n GLU 82 Ca 0.10 0.16 0.11 0.00 -0.02 0.00 0.00 57.16 57.51 3hom n GLU 82 Cb 0.67 -1.55 0.34 0.00 -0.02 0.00 0.00 31.44 30.87 3hom n GLU 82 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3hom s LEU 84 N -1.17 4.33 0.09 0.00 1.43 -1.23 -4.51 118.68 117.62 3hom s LEU 84 Ca 0.50 0.47 0.06 0.00 -1.03 0.00 0.00 54.13 54.13 3hom s LEU 84 Cb 0.27 -2.18 -0.03 0.00 0.03 0.00 0.00 46.19 44.28 3hom s LEU 84 CO 0.32 0.29 -0.15 -0.36 0.23 0.00 0.00 176.35 176.68 3hom s PHE 85 N -0.44 1.35 -0.47 0.29 0.08 -0.94 -1.76 117.98 116.08 3hom s PHE 85 Ca 0.14 -0.48 -0.18 0.00 0.12 0.00 0.00 56.93 56.53 3hom s PHE 85 Cb -0.12 -0.74 0.04 0.00 -0.57 0.00 0.00 43.02 41.63 3hom s PHE 85 CO 0.03 0.10 0.53 -0.51 -0.10 0.00 0.00 175.22 175.28 3hom s LEU 86 N -1.95 4.97 -0.18 -0.37 1.43 0.95 -1.41 118.68 122.12 3hom s LEU 86 Ca 0.02 -0.83 -0.25 0.00 -1.03 0.00 0.00 54.13 52.04 3hom s LEU 86 Cb -0.09 -2.42 -0.01 0.00 0.03 0.00 0.00 46.19 43.70 3hom s LEU 86 CO 0.03 -0.74 0.84 -0.70 0.23 0.00 0.00 176.35 176.01 3hom s GLU 87 N 2.35 4.29 0.20 1.70 2.12 -0.18 -1.71 118.70 127.47 3hom s GLU 87 Ca 0.13 1.03 0.01 0.00 0.36 0.00 0.00 54.97 56.50 3hom s GLU 87 Cb -0.19 -3.58 -0.05 0.00 0.26 0.00 0.00 34.13 30.58 3hom s GLU 87 CO 0.13 -0.35 0.04 1.03 -0.54 0.00 0.00 175.26 175.56 3hom s ARG 88 N 2.24 1.20 0.13 4.30 1.81 -0.02 -4.77 118.95 123.84 3hom s ARG 88 Ca 0.38 -1.60 -0.10 0.00 -1.72 0.00 0.00 55.73 52.69 3hom s ARG 88 Cb -0.16 -0.21 -0.06 0.00 -0.45 0.00 0.00 34.95 34.06 3hom s ARG 88 CO 0.12 -0.20 0.45 -1.17 -0.68 0.00 0.00 175.30 173.82 3hom s LEU 89 N -3.21 4.30 -0.03 2.53 2.96 -0.25 -0.17 118.68 124.80 3hom s LEU 89 Ca 0.29 0.84 -0.02 0.00 -0.22 0.00 0.00 54.13 55.02 3hom s LEU 89 Cb 0.07 -3.23 0.01 0.00 0.50 0.00 0.00 46.19 43.54 3hom s LEU 89 CO 0.07 0.09 0.07 -0.70 -1.32 0.00 0.00 176.35 174.56 3hom s GLU 90 N -2.23 0.06 -1.54 1.98 2.56 -0.25 -4.79 118.70 114.49 3hom s GLU 90 Ca 0.38 0.13 -0.03 0.00 0.00 0.00 0.00 54.97 55.45 3hom s GLU 90 Cb -0.13 -0.03 0.01 0.00 2.00 0.00 0.00 34.13 35.98 3hom s GLU 90 CO 0.20 -0.05 0.31 0.39 -0.56 0.00 0.00 175.26 175.55 3hom n GLU 91 N 3.35 -3.31 -2.56 4.30 1.02 -1.26 -1.39 120.64 120.78 3hom n GLU 91 Ca -0.16 0.86 -0.13 0.00 -0.02 0.00 0.00 57.16 57.71 3hom n GLU 91 Cb 0.57 -5.60 -0.00 0.00 -0.02 0.00 0.00 31.44 26.38 3hom n GLU 91 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3hom n ASN 92 N -2.24 -3.73 0.17 1.62 4.13 -1.26 -4.61 115.26 109.34 3hom n ASN 92 Ca -0.15 0.14 0.00 0.00 1.68 0.00 0.00 54.58 56.25 3hom n ASN 92 Cb 0.63 -3.17 0.00 0.00 -1.54 0.00 0.00 39.78 35.71 3hom n ASN 92 CO 0.00 0.00 0.00 1.57 0.28 0.00 0.00 177.26 179.11 3hom n HIS 93 N -3.41 -3.41 -2.04 3.10 -0.00 -0.64 -5.16 115.22 103.66 3hom n HIS 93 Ca -0.12 0.94 -0.29 0.00 0.46 0.00 0.00 57.72 58.71 3hom n HIS 93 Cb 0.60 2.22 0.17 0.00 -0.12 0.00 0.00 29.99 32.85 3hom n HIS 93 CO 0.00 0.00 0.00 0.71 0.46 0.00 0.00 176.34 177.51 3hom s TYR 94 N -2.00 1.64 -0.13 1.57 1.51 -0.48 -4.81 117.35 114.65 3hom s TYR 94 Ca 0.00 0.24 0.02 0.00 -1.01 0.00 0.00 57.07 56.31 3hom s TYR 94 Cb 0.00 -3.92 -0.00 0.00 -0.11 0.00 0.00 41.96 37.92 3hom s TYR 94 CO 0.00 -2.47 -0.19 -0.80 -1.11 0.00 0.00 175.55 170.98 3hom s ASN 95 N -4.86 3.48 0.17 2.29 -0.87 0.14 -1.09 114.94 114.20 3hom s ASN 95 Ca 0.72 -0.48 0.09 0.00 -1.57 0.00 0.00 52.86 51.62 3hom s ASN 95 Cb -0.04 -1.50 -0.04 0.00 -0.02 0.00 0.00 41.25 39.64 3hom s ASN 95 CO 0.51 0.13 -0.13 0.42 -2.57 0.00 0.00 177.10 175.47 3hom s THR 96 N 0.51 3.05 -0.21 1.60 -4.23 0.76 -1.68 115.64 115.43 3hom s THR 96 Ca -0.12 -1.65 -0.00 0.00 -1.18 0.00 0.00 61.69 58.73 3hom s THR 96 Cb -0.16 -2.48 0.06 0.00 1.34 0.00 0.00 72.50 71.25 3hom s THR 96 CO 0.05 -0.06 -0.04 -0.31 -0.54 0.00 0.00 174.62 173.72 3hom s TYR 97 N -1.58 1.95 -0.12 3.99 2.02 -1.26 -0.84 117.35 121.50 3hom s TYR 97 Ca 0.23 -1.41 -0.08 0.00 -0.37 0.00 0.00 57.07 55.44 3hom s TYR 97 Cb -0.09 -1.40 -0.04 0.00 -0.40 0.00 0.00 41.96 40.02 3hom s TYR 97 CO 0.14 -0.70 0.15 0.42 -1.57 0.00 0.00 175.55 173.99 3hom s ILE 98 N 1.55 5.47 0.03 2.71 1.01 -0.69 -0.69 121.20 130.59 3hom s ILE 98 Ca -0.03 0.24 -0.30 0.00 0.00 0.00 0.00 60.65 60.56 3hom s ILE 98 Cb -0.18 -3.43 -0.08 0.00 0.01 0.00 0.00 42.46 38.79 3hom s ILE 98 CO -0.07 0.59 1.73 -0.55 0.00 0.00 0.00 174.94 176.65 3hom s SER 99 N -0.85 6.57 0.06 3.58 0.15 0.81 -0.04 113.70 123.99 3hom s SER 99 Ca 0.15 2.48 -0.24 0.00 0.70 0.00 0.00 55.95 59.04 3hom s SER 99 Cb -0.12 -2.55 -0.16 0.00 -1.71 0.00 0.00 66.02 61.48 3hom s SER 99 CO 0.04 -0.94 1.61 0.50 1.20 0.00 0.00 173.24 175.65 3hom h LYS 100 N 9.13 -0.03 -1.00 5.44 3.64 -1.67 0.18 116.57 132.25 3hom h LYS 100 Ca -0.43 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 58.99 3hom h LYS 100 Cb 1.20 0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 32.97 3hom h LYS 100 CO 0.94 0.10 0.65 -0.22 -2.27 0.00 0.00 179.45 178.65 3hom h LYS 101 N -0.16 1.20 -0.67 1.90 3.64 -1.78 -1.95 116.57 118.74 3hom h LYS 101 Ca -0.00 -0.07 -0.34 0.00 -1.27 0.00 0.00 60.65 58.97 3hom h LYS 101 Cb 0.15 -0.27 -0.20 0.00 -0.41 0.00 0.00 32.23 31.50 3hom h LYS 101 CO 0.01 0.80 0.28 0.72 -2.27 0.00 0.00 179.45 178.99 3hom n HIS 102 N -4.46 2.09 -0.22 1.91 8.25 -1.15 -4.69 115.22 116.95 3hom n HIS 102 Ca 0.14 -1.68 0.00 0.00 -0.26 0.00 0.00 57.72 55.93 3hom n HIS 102 Cb 0.12 -0.71 0.12 0.00 1.12 0.00 0.00 29.99 30.64 3hom n HIS 102 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3hom h ALA 103 N 1.13 0.88 0.00 -1.41 0.00 0.18 -1.78 119.26 118.25 3hom h ALA 103 Ca 0.41 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.38 3hom h ALA 103 Cb 2.26 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 20.04 3hom h ALA 103 CO 0.74 -0.10 0.00 1.05 0.00 0.00 0.00 179.25 180.94 3hom h GLU 104 N 0.53 0.00 -0.33 0.00 9.09 -1.83 -1.14 114.58 120.89 3hom h GLU 104 Ca 0.32 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.73 3hom h GLU 104 Cb 0.34 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.44 3hom h GLU 104 CO -0.27 0.00 0.00 1.63 0.05 0.00 0.00 179.01 180.42 3hom n LYS 105 N -2.99 2.40 -3.60 1.06 5.02 -0.68 -4.99 118.16 114.38 3hom n LYS 105 Ca -0.02 -2.11 -0.20 0.00 -2.02 0.00 0.00 58.31 53.96 3hom n LYS 105 Cb 0.12 -1.50 0.05 0.00 -0.02 0.00 0.00 35.03 33.69 3hom n LYS 105 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3hom n ASN 106 N 1.33 -1.58 -4.66 4.39 4.13 -0.43 -4.94 115.26 113.49 3hom n ASN 106 Ca 0.19 -0.75 -0.38 0.00 1.68 0.00 0.00 54.58 55.31 3hom n ASN 106 Cb 0.57 -4.44 -0.07 0.00 -1.54 0.00 0.00 39.78 34.30 3hom n ASN 106 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 3hom s TRP 107 N -3.56 3.36 0.35 3.10 0.52 -1.23 -4.44 118.94 117.05 3hom s TRP 107 Ca 0.01 0.63 0.08 0.00 0.02 0.00 0.00 56.10 56.85 3hom s TRP 107 Cb -0.00 -2.56 -0.05 0.00 -1.15 0.00 0.00 33.47 29.71 3hom s TRP 107 CO 0.78 -0.04 0.12 -0.06 0.02 0.00 0.00 176.95 177.77 3hom s PHE 108 N 1.43 2.65 -0.11 -1.98 0.40 -1.26 -0.14 117.98 118.98 3hom s PHE 108 Ca 0.20 -0.43 -0.22 0.00 -0.60 0.00 0.00 56.93 55.88 3hom s PHE 108 Cb -0.15 -1.66 -0.03 0.00 0.51 0.00 0.00 43.02 41.69 3hom s PHE 108 CO 0.08 0.35 0.66 0.08 0.70 0.00 0.00 175.22 177.09 3hom s VAL 109 N -2.48 5.05 0.06 -0.44 1.01 0.13 -4.60 120.40 119.14 3hom s VAL 109 Ca 0.38 1.33 -0.13 0.00 0.00 0.00 0.00 61.98 63.56 3hom s VAL 109 Cb -0.01 -3.99 0.02 0.00 0.00 0.00 0.00 36.38 32.39 3hom s VAL 109 CO 0.22 0.22 0.28 -0.83 0.00 0.00 0.00 175.10 174.99 3hom s GLY 110 N 0.87 -0.08 -0.07 4.51 0.00 -1.26 -4.40 107.32 106.89 3hom s GLY 110 Ca 0.34 -0.15 0.03 0.00 0.00 0.00 0.00 44.72 44.94 3hom s GLY 110 CO 0.15 -0.36 -0.14 1.08 0.00 0.00 0.00 173.10 173.83 3hom s LEU 111 N -2.30 1.74 0.82 0.66 1.43 -0.43 -0.85 118.68 119.75 3hom s LEU 111 Ca -0.02 -0.33 -0.12 0.00 -1.03 0.00 0.00 54.13 52.63 3hom s LEU 111 Cb 0.01 -0.90 0.08 0.00 0.03 0.00 0.00 46.19 45.40 3hom s LEU 111 CO -0.06 0.06 1.12 -0.54 0.23 0.00 0.00 176.35 177.16 3hom s LYS 112 N 0.53 1.91 0.61 1.70 1.02 0.28 -4.42 119.74 121.36 3hom s LYS 112 Ca -0.13 0.46 0.36 0.00 0.02 0.00 0.00 55.97 56.68 3hom s LYS 112 Cb -0.15 -1.91 1.98 0.00 -0.52 0.00 0.00 37.83 37.22 3hom s LYS 112 CO 0.04 -1.70 2.25 0.87 -0.92 0.00 0.00 175.35 175.89 3hom h LYS 113 N -1.14 0.00 -0.32 1.68 1.57 -1.88 -0.92 116.57 115.56 3hom h LYS 113 Ca -0.48 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 3hom h LYS 113 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.60 3hom h LYS 113 CO 0.61 0.02 0.00 0.27 -0.57 0.00 0.00 179.45 179.79 3hom n ASN 114 N -3.40 2.06 0.00 0.86 0.23 -1.26 -4.67 115.26 109.09 3hom n ASN 114 Ca -0.02 -1.89 0.00 0.00 -0.53 0.00 0.00 54.58 52.13 3hom n ASN 114 Cb 0.13 -0.21 0.00 0.00 -2.08 0.00 0.00 39.78 37.62 3hom n ASN 114 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3hom n GLY 115 N 1.16 0.57 3.88 4.83 0.00 -0.35 -5.00 105.19 110.27 3hom n GLY 115 Ca 0.15 -0.06 -0.36 0.00 0.00 0.00 0.00 46.02 45.75 3hom n GLY 115 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hom s SER 116 N -2.05 6.49 0.25 1.61 1.04 -1.26 -1.05 113.70 118.73 3hom s SER 116 Ca 0.00 0.57 -0.30 0.00 0.48 0.00 0.00 55.95 56.70 3hom s SER 116 Cb 0.00 -2.10 -0.10 0.00 0.10 0.00 0.00 66.02 63.92 3hom s SER 116 CO 0.00 0.34 1.41 0.00 0.98 0.00 0.00 173.24 175.97 3hom s LYS 118 N -0.49 4.12 0.07 0.00 1.02 -0.03 -4.86 119.74 119.57 3hom s LYS 118 Ca 0.58 0.96 -0.22 0.00 0.02 0.00 0.00 55.97 57.31 3hom s LYS 118 Cb -0.41 -2.25 -0.06 0.00 -0.52 0.00 0.00 37.83 34.59 3hom s LYS 118 CO 0.44 -0.01 0.66 0.50 -0.92 0.00 0.00 175.35 176.02 3hom s ARG 119 N -3.25 4.37 0.05 1.68 3.52 -1.26 -4.57 118.95 119.48 3hom s ARG 119 Ca 0.59 0.89 -0.09 0.00 -0.13 0.00 0.00 55.73 57.00 3hom s ARG 119 Cb -0.09 -3.29 -0.02 0.00 -1.56 0.00 0.00 34.95 29.98 3hom s ARG 119 CO 0.17 0.49 0.78 0.41 -0.81 0.00 0.00 175.30 176.34 3hom n GLY 120 N 2.00 -1.83 0.30 8.12 0.00 0.19 0.38 105.19 114.35 3hom n GLY 120 Ca -0.07 0.54 0.13 0.00 0.00 0.00 0.00 46.02 46.62 3hom n GLY 120 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3hom h PRO 121 N 0.00 0.00 -0.01 1.61 0.11 -1.85 -0.21 132.00 131.64 3hom h PRO 121 Ca 0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.16 3hom h PRO 121 Cb 0.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.23 3hom h PRO 121 CO -0.26 0.00 -0.08 0.54 -0.21 0.00 0.00 178.00 177.99 3hom n ARG 122 N -2.69 1.45 -4.12 1.05 5.12 0.16 -4.91 116.66 112.72 3hom n ARG 122 Ca -0.02 -0.86 -0.22 0.00 -1.93 0.00 0.00 57.85 54.82 3hom n ARG 122 Cb 0.40 -1.48 -0.05 0.00 -1.16 0.00 0.00 32.46 30.16 3hom n ARG 122 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 3hom s THR 123 N -2.15 3.92 -0.19 0.55 -4.23 -0.09 -4.92 115.64 108.53 3hom s THR 123 Ca 0.34 -1.56 -0.35 0.00 -1.18 0.00 0.00 61.69 58.93 3hom s THR 123 Cb 0.20 -3.19 0.14 0.00 1.34 0.00 0.00 72.50 71.00 3hom s THR 123 CO 0.39 -0.32 1.25 -1.38 -0.54 0.00 0.00 174.62 174.02 3hom s HIS 124 N -2.24 -0.10 0.42 3.99 -3.43 -1.26 -4.81 115.29 107.87 3hom s HIS 124 Ca 0.34 0.05 -0.24 0.00 -0.80 0.00 0.00 55.06 54.41 3hom s HIS 124 Cb -0.07 0.51 -0.10 0.00 -1.43 0.00 0.00 32.58 31.50 3hom s HIS 124 CO 0.24 -0.17 1.07 0.66 -2.00 0.00 0.00 174.74 174.53 3hom n TYR 125 N -0.12 1.39 -0.06 0.38 4.01 -1.26 -2.85 117.16 118.65 3hom n TYR 125 Ca 0.00 0.55 0.00 0.00 -0.16 0.00 0.00 57.90 58.29 3hom n TYR 125 Cb 0.58 -2.26 0.00 0.00 -0.31 0.00 0.00 39.34 37.35 3hom n TYR 125 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3hom n GLY 126 N 1.10 0.50 3.92 2.72 0.00 -1.26 -5.07 105.19 107.09 3hom n GLY 126 Ca 0.09 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.84 3hom n GLY 126 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hom s GLN 127 N -0.85 3.10 -0.06 1.61 -0.21 -1.13 -5.00 119.66 117.11 3hom s GLN 127 Ca 0.00 0.02 0.15 0.00 0.02 0.00 0.00 55.36 55.55 3hom s GLN 127 Cb 0.00 -2.32 -0.22 0.00 1.00 0.00 0.00 33.01 31.47 3hom s GLN 127 CO 0.00 -0.54 0.54 1.63 -2.12 0.00 0.00 175.29 174.80 3hom n LYS 128 N -2.46 0.65 0.30 2.91 4.76 -1.26 -4.14 118.16 118.91 3hom n LYS 128 Ca 0.03 0.19 0.17 0.00 -2.87 0.00 0.00 58.31 55.83 3hom n LYS 128 Cb 0.57 -1.72 0.96 0.00 -1.84 0.00 0.00 35.03 33.00 3hom n LYS 128 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3hom h ALA 129 N 1.11 1.34 -0.01 7.82 0.00 -1.95 -1.86 119.26 125.71 3hom h ALA 129 Ca -0.32 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3hom h ALA 129 Cb 1.96 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.75 3hom h ALA 129 CO 0.06 0.03 -0.18 0.44 0.00 0.00 0.00 179.25 179.60 3hom n ILE 130 N -3.60 0.00 -3.07 0.00 -5.35 -1.26 -1.31 119.36 104.77 3hom n ILE 130 Ca -0.03 -0.18 -0.41 0.00 -0.27 0.00 0.00 62.75 61.86 3hom n ILE 130 Cb 0.11 0.50 -0.06 0.00 -1.74 0.00 0.00 39.64 38.45 3hom n ILE 130 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 3hom s LEU 131 N -2.32 4.07 0.09 7.28 1.43 -0.70 -4.45 118.68 124.08 3hom s LEU 131 Ca 0.29 0.75 0.08 0.00 -1.03 0.00 0.00 54.13 54.22 3hom s LEU 131 Cb 0.20 -2.91 -0.03 0.00 0.03 0.00 0.00 46.19 43.47 3hom s LEU 131 CO 0.46 -0.40 -0.21 -0.36 0.23 0.00 0.00 176.35 176.07 3hom s PHE 132 N 2.58 1.77 -0.17 0.29 0.40 -0.68 -2.83 117.98 119.35 3hom s PHE 132 Ca 0.28 -0.41 0.00 0.00 -0.60 0.00 0.00 56.93 56.20 3hom s PHE 132 Cb -0.15 -0.98 0.03 0.00 0.51 0.00 0.00 43.02 42.43 3hom s PHE 132 CO 0.08 0.18 -0.10 -1.17 0.70 0.00 0.00 175.22 174.91 3hom s LEU 133 N -1.77 1.83 -0.28 -0.37 2.96 -0.22 0.26 118.68 121.09 3hom s LEU 133 Ca 0.06 -0.65 -0.29 0.00 -0.22 0.00 0.00 54.13 53.03 3hom s LEU 133 Cb -0.10 -1.10 0.01 0.00 0.50 0.00 0.00 46.19 45.50 3hom s LEU 133 CO 0.04 -0.12 1.19 -2.16 -1.32 0.00 0.00 176.35 173.97 3hom s PRO 134 N 1.51 4.06 0.12 0.98 0.04 -1.26 -1.20 135.00 139.26 3hom s PRO 134 Ca 0.02 1.26 0.04 0.00 0.04 0.00 0.00 61.00 62.36 3hom s PRO 134 Cb -0.15 -3.79 -0.04 0.00 0.04 0.00 0.00 34.50 30.57 3hom s PRO 134 CO -0.09 -0.93 0.11 -0.51 0.04 0.00 0.00 177.00 175.62 3hom s LEU 135 N 3.85 3.79 0.76 -3.56 1.43 0.16 -4.85 118.68 120.26 3hom s LEU 135 Ca 0.51 -0.08 -0.12 0.00 -1.03 0.00 0.00 54.13 53.41 3hom s LEU 135 Cb -0.16 -2.43 0.05 0.00 0.03 0.00 0.00 46.19 43.68 3hom s LEU 135 CO 0.17 0.12 1.11 -2.84 0.23 0.00 0.00 176.35 175.14 3hom s PRO 136 N -2.76 2.26 0.00 1.29 0.02 -1.26 0.21 135.00 134.76 3hom s PRO 136 Ca 0.30 1.29 0.28 0.00 0.02 0.00 0.00 61.00 62.90 3hom s PRO 136 Cb -0.11 -1.89 1.10 0.00 0.02 0.00 0.00 34.50 33.62 3hom s PRO 136 CO 0.23 -1.66 1.78 1.33 -0.33 0.00 0.00 177.00 178.34